SCHEMBL3170784

SCHEMBL3170784

O=C(O)C1CNCC1c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.56
KCNH2 Q12809 1/20 0.56
PRCP P42785 8/20 0.46
HTR2C P28335 2/20 0.43
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1B P49286 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
MC5R P33032 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29904543 1.00 MC4R (0.56) MC4RKCNH2PRCPHTR2CHTT
SCHEMBL3160522 1.00 MC4R (0.56) MC4RKCNH2PRCPHTR2CHTT
Hydrochloric Acid SCHEMBL14991520 0.98 MC4R (0.55) MC4RKCNH2PRCPHTR2CHTT
SCHEMBL14610180 0.88 MC4R (0.48) MC4RKCNH2PRCPHTTHTR2A
SCHEMBL29904547 0.85 PRCP (0.46) MC4RKCNH2PRCPHTR2CCHRNB2
Hydrochloric Acid SCHEMBL28643755 0.84 HTR2C (0.46) MC4RKCNH2PRCPHTR2CCHRNB2
SCHEMBL1921102 0.83 MC4R (0.54) MC4RKCNH2PRCPHTR2CMTNR1B
SCHEMBL12533727 0.83 MC4R (0.54) MC4RKCNH2PRCPHTR2CMTNR1B
SCHEMBL29327388 0.83 MC4R (0.54) MC4RKCNH2PRCPHTR2CMTNR1B
SCHEMBL1920424 0.83 MC4R (0.54) MC4RKCNH2PRCPHTR2CMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
EP-1716135-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS Pfizer Limited (GB) 2006-11-02 EP disclosed
EP-1615882-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYRROLIDINE CARBOXYLIC ACIDS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2005077935-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LIMITED (GB) 2005-08-25 WO disclosed
US-20050176772-A1 Pharmaceutically active compounds PFIZER INC 2005-08-11 US disclosed
WO-2004092126-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYRROLIDINE CARBOXYLIC ACIDS MERCK & CO., INC. (US) 2004-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176772-A1 Pharmaceutically active compounds MC4R, MC3R, MC5R MC4R 1/4885KCNH2 2767/4885PRCP 515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.